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1250995-41-5 | 3-Azabicyclo[3.1.1]heptane-3,6-dicarboxylic acid, 3-(1,1-dimethylethyl) ester, (1α,5α,6β)-
CAS No: 1250995-41-5 Catalog No: AG000N52 MDL No:
Product Description
Catalog Number:
AG000N52
Chemical Name:
3-Azabicyclo[3.1.1]heptane-3,6-dicarboxylic acid, 3-(1,1-dimethylethyl) ester, (1α,5α,6β)-
CAS Number:
1250995-41-5
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-6-carboxylic acid
InChI:
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-5-7-4-8(6-13)9(7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChI Key:
OQCJMHMUVJXYQH-UHFFFAOYSA-N
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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